8UGW
Computational design of highly signaling active membrane receptors through de novo solvent-mediated allosteric networks
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Endolysin,Adenosine receptor A2a | polymer | 472 | 52688.7 | 1 | UniProt (P00720) UniProt (P29274) Pfam (PF00959) Pfam (PF00001) | Tequatrovirus T4 | |
| 2 | B (A) | 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE | non-polymer | 499.5 | 1 | Chemie (NGI) PubChem (2691) PubChem (24867488) PubChem (44366731) PubChem (104924) PubChem (40467978) PubChem (57467688) PubChem (60035212) PubChem (68337842) PubChem (70876754) PubChem (56845740) PubChem (3086599) PubChem (92853243) PubChem (6603758) PubChem (6604808) PubChem (71161548) PubChem (133639587) PubChem (124338912) PubChem (124338914) PubChem (11957502) PubChem (124784564) PubChem (134203485) PubChem (134693183) PubChem (138106570) |
Sequence modifications
A: 1027 - 1131 (UniProt: P00720)
A: null - 322 (UniProt: P29274)
| PDB | External Database | Details |
|---|---|---|
| Met 1001 | - | initiating methionine |
| Lys 1002 | - | expression tag |
| Thr 1003 | - | expression tag |
| Ile 1004 | - | expression tag |
| Ile 1005 | - | expression tag |
| Ala 1006 | - | expression tag |
| Leu 1007 | - | expression tag |
| Ser 1008 | - | expression tag |
| Tyr 1009 | - | expression tag |
| Ile 1010 | - | expression tag |
| Phe 1011 | - | expression tag |
| Cys 1012 | - | expression tag |
| Leu 1013 | - | expression tag |
| Val 1014 | - | expression tag |
| Phe 1015 | - | expression tag |
| Ala 1016 | - | expression tag |
| Asp 1017 | - | expression tag |
| Tyr 1018 | - | expression tag |
| Lys 1019 | - | expression tag |
| Asp 1020 | - | expression tag |
| Asp 1021 | - | expression tag |
| Asp 1022 | - | expression tag |
| Asp 1023 | - | expression tag |
| Gly 1024 | - | expression tag |
| Ala 1025 | - | expression tag |
| Pro 1026 | - | expression tag |
| Ala 1064 | Cys 97 | conflict |
| Arg 1104 | Ile 137 | conflict |
| Ser 1132 | - | linker |
| Gly 1133 | - | linker |
| Gly 1134 | - | linker |
| Gly 1135 | - | linker |
| Gly 1136 | - | linker |
| Ala 1137 | - | linker |
| Met 1138 | - | linker |
| Asp 1139 | - | linker |
| Ile 1140 | - | linker |
| Phe 1141 | - | linker |
| Glu 1142 | - | linker |
| Met 1143 | - | linker |
| Leu 1144 | - | linker |
| Arg 1145 | - | linker |
| Ile 1146 | - | linker |
| Asp 1147 | - | linker |
| Glu 1148 | - | linker |
| Gly 1149 | - | linker |
| Ala | - | linker |
| Pro | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ala 48 | Leu 48 | conflict |
| Thr 91 | Ser 91 | conflict |
| Met 95 | Leu 95 | conflict |
| Met 194 | Leu 194 | conflict |
| Tyr 238 | Ile 238 | conflict |
| Leu 239 | Val 239 | conflict |
| Leu 243 | Ala 243 | conflict |
| Gly 317 | Ala 317 | conflict |
| Ser 318 | Gly 318 | conflict |
| Leu 319 | Thr 319 | conflict |
| Val 320 | Ser 320 | conflict |
| Pro 321 | Ala 321 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52688.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 499.5 | |
| All* | Total formula weight | 53188.2 |
